In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2011 | 17 | Yes |
Popular Name: (4S)-4-(cyclopentylamino)-6,7-dihydro-5H-benzothiophene-4-carbonitrile (4S)-4-(cyclopentylamino)-6,7-di…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.34 | 6.45 | -4.95 | 1 | 2 | 0 | 36 | 246.379 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.34 | 7.42 | -40.33 | 2 | 2 | 1 | 40 | 247.387 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.